(Q105030036)

English

(4,4,6a,6a,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₄₀H₅₈O₄

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Statements

group of stereoisomers

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taraxerane triterpenoid

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taraxerane triterpenoid

alkyl caffeate ester

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alkyl caffeate ester

602.433510336 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₈O₄

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC5(C)CCC(C)(C)CC45)C3(C)CCC2C1(C)C)C)C=CC6=CC=C(O)C(OC)=C6

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Identifiers

InChI=1S/C40H58O4/c1-35(2)22-23-37(5)18-14-30-39(7)19-15-29-36(3,4)33(44-34(42)13-11-26-10-12-27(41)28(24-26)43-9)17-21-38(29,6)31(39)16-20-40(30,8)32(37)25-35/h10-14,24,29,31-33,41H,15-23,25H2,1-9H3

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HKZGZNSIWGBZTM-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HKZGZNSIWGBZTM-UHFFFAOYSA-N

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